SCHEMBL3835451

SCHEMBL3835451

Cc1ccccc1-c1cc(-c2cc3cc(CN4CCCCC4)ccc3[nH]2)c2c[nH]cc2c1

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 19/20 0.50
CDK7 P50613 4/20 0.48
FFAR1 O14842 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3835762 0.89 CHEK1 (0.49) CHEK1CDK7FFAR1
SCHEMBL3862660 0.88 CHEK1 (0.55) CHEK1CDK7
SCHEMBL3840941 0.84 CHEK1 (0.50) CHEK1CDK7
SCHEMBL3854180 0.83 CHEK1 (0.70) CHEK1CDK7
SCHEMBL5050598 0.82 CHEK1 (0.53) CHEK1CDK7
SCHEMBL5046867 0.74 CHEK1 (0.53) CHEK1CDK7
SCHEMBL3856005 0.74 CHEK1 (0.58) CHEK1CDK7
SCHEMBL5132488 0.74 CHEK1 (0.56) CHEK1CDK7
SCHEMBL5132049 0.74 CHEK1 (0.59) CHEK1CDK7
SCHEMBL5132784 0.74 CHEK1 (0.68) CHEK1CDK7

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2108642-A1 JAK INHIBITOR Kyowa Hakko Kirin Co., Ltd. (JP) 2009-10-14 EP disclosed